Ion Hopping and Constrained Li Diffusion Pathways in the Superionic State of Antifluorite Li2O
AbstractLi2O belongs to the family of antifluorites that show superionic behavior at high temperatures. While some of the superionic characteristics of Li2O are well-known, the mechanistic details of ionic conduction processes are somewhat nebulous. In this work, we first establish an onset of superionic conduction that is emblematic of a gradual disordering process among the Li ions at a characteristic temperature Tα (~1000 K) using reported neutron diffraction data and atomistic simulations. In the superionic state, the Li ions are observed to portray dynamic disorder by hopping between the tetrahedral lattice sites. We then show that string-like ionic diffusion pathways are established among the Li ions in the superionic state. The diffusivity of these dynamical string-like structures, which have a finite lifetime, shows a remarkable correlation to the bulk diffusivity of the system. View Full-Text
Scifeed alert for new publicationsNever miss any articles matching your research from any publisher
- Get alerts for new papers matching your research
- Find out the new papers from selected authors
- Updated daily for 49'000+ journals and 6000+ publishers
- Define your Scifeed now
Annamareddy, A.; Eapen, J. Ion Hopping and Constrained Li Diffusion Pathways in the Superionic State of Antifluorite Li2O. Entropy 2017, 19, 227.
Annamareddy A, Eapen J. Ion Hopping and Constrained Li Diffusion Pathways in the Superionic State of Antifluorite Li2O. Entropy. 2017; 19(5):227.Chicago/Turabian Style
Annamareddy, Ajay; Eapen, Jacob. 2017. "Ion Hopping and Constrained Li Diffusion Pathways in the Superionic State of Antifluorite Li2O." Entropy 19, no. 5: 227.
Note that from the first issue of 2016, MDPI journals use article numbers instead of page numbers. See further details here.